4-(cyclohexylmethoxy)-1-phenylbutan-1-one

C17H24O2 — CID 62382636

IUPAC4-(cyclohexylmethoxy)-1-phenylbutan-1-one
SMILESO=C(CCCOCC1CCCCC1)c1ccccc1
InChIInChI=1S/C17H24O2/c18-17(16-10-5-2-6-11-16)12-7-13-19-14-15-8-3-1-4-9-15/h2,5-6,10-11,15H,1,3-4,7-9,12-14H2
InChIKeyWDVZCFCUMHEWKR-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.25
Rot. Bonds7

About 4-(cyclohexylmethoxy)-1-phenylbutan-1-one

4-(cyclohexylmethoxy)-1-phenylbutan-1-one (PubChem CID 62382636) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-(cyclohexylmethoxy)-1-phenylbutan-1-one.

Molecular Properties

Compound Name4-(cyclohexylmethoxy)-1-phenylbutan-1-one
PubChem CID62382636
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name4-(cyclohexylmethoxy)-1-phenylbutan-1-one
SMILESO=C(CCCOCC1CCCCC1)c1ccccc1
InChIInChI=1S/C17H24O2/c18-17(16-10-5-2-6-11-16)12-7-13-19-14-15-8-3-1-4-9-15/h2,5-6,10-11,15H,1,3-4,7-9,12-14H2
InChIKeyWDVZCFCUMHEWKR-UHFFFAOYSA-N
XLogP4.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethoxy)-1-phenylbutan-1-one?
The IUPAC name of 4-(cyclohexylmethoxy)-1-phenylbutan-1-one (CID 62382636) is 4-(cyclohexylmethoxy)-1-phenylbutan-1-one.
What is the SMILES notation for 4-(cyclohexylmethoxy)-1-phenylbutan-1-one?
The canonical SMILES for 4-(cyclohexylmethoxy)-1-phenylbutan-1-one is O=C(CCCOCC1CCCCC1)c1ccccc1.
What is the InChIKey of 4-(cyclohexylmethoxy)-1-phenylbutan-1-one?
The InChIKey is WDVZCFCUMHEWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c18-17(16-10-5-2-6-11-16)12-7-13-19-14-15-8-3-1-4-9-15/h2,5-6,10-11,15H,1,3-4,7-9,12-14H2.
What are the key properties of 4-(cyclohexylmethoxy)-1-phenylbutan-1-one?
4-(cyclohexylmethoxy)-1-phenylbutan-1-one has a molecular weight of 260.38 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethoxy)-1-phenylbutan-1-one is sourced from PubChem (CID 62382636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).